1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol

C28H52OSi — CID 21365321

IUPAC1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCCCCCC1CCC(C2CCC(CCCCC)(C(O)C#C[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C28H52OSi/c1-6-8-10-12-24-13-15-25(16-14-24)26-17-21-28(22-18-26,20-11-9-7-2)27(29)19-23-30(3,4)5/h24-27,29H,6-18,20-22H2,1-5H3
InChIKeyBHEYKCRGEIRFPV-UHFFFAOYSA-N
MW432.81 g/mol
LogP8.37
Rot. Bonds10

About 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol

1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol (PubChem CID 21365321) has the molecular formula C28H52OSi and a molecular weight of 432.81 g/mol. Its IUPAC name is 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol.

Molecular Properties

Compound Name1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol
PubChem CID21365321
Molecular FormulaC28H52OSi
Molecular Weight432.81 g/mol
Exact Mass432.38
IUPAC Name1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol
SMILESCCCCCC1CCC(C2CCC(CCCCC)(C(O)C#C[Si](C)(C)C)CC2)CC1
InChIInChI=1S/C28H52OSi/c1-6-8-10-12-24-13-15-25(16-14-24)26-17-21-28(22-18-26,20-11-9-7-2)27(29)19-23-30(3,4)5/h24-27,29H,6-18,20-22H2,1-5H3
InChIKeyBHEYKCRGEIRFPV-UHFFFAOYSA-N
XLogP8.37
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.81
LogP ≤ 58.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol with MolForge

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Related Compounds

(1R)-1-cyclohexyl-5-tri(propan-2-yl)silylpenta-2,4-diyn-1-ol
CID 135020612
1-Cyclohexyl-4-tri(propan-2-yl)silylbut-3-yn-1-ol
CID 164687146
(1S)-1-cyclohexyl-3-tri(propan-2-yl)silylprop-2-yn-1-ol
CID 11346939
1-(4-Trimethylsilyloxycyclohexyl)-4-(4-pentylcyclohexyl)-1-butyn-3-ol
CID 18952866
9-(Tert-butyldimethylsilanyloxymethyl)-spiro[5.5]undecan-3-ol
CID 19390047
4-(4-Methylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 20693738
1-[1-Pentyl-4-(4-pentylcyclohexyl)cyclohexyl]prop-2-yn-1-ol
CID 21365322
1-[4-(4-Methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]pent-2-yne-1,4-diol
CID 21365323
1-[4-(4-Methylcyclohexyl)-1-[(4-methylcyclohexyl)methyl]cyclohexyl]prop-2-yn-1-ol
CID 21365324
5,5-Dimethyl-1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]hex-2-yne-1,4-diol
CID 21365351
4-(4-Propylcyclohexyl)-1-(2-trimethylsilylethynyl)cyclohexan-1-ol
CID 59309285
[(1S,2R)-2-methyl-2-(2-triethylsilylethynyl)cyclohexyl]methanol
CID 90075404

Frequently Asked Questions

What is the IUPAC name of 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol?
The IUPAC name of 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol (CID 21365321) is 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol.
What is the SMILES notation for 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol?
The canonical SMILES for 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol is CCCCCC1CCC(C2CCC(CCCCC)(C(O)C#C[Si](C)(C)C)CC2)CC1.
What is the InChIKey of 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol?
The InChIKey is BHEYKCRGEIRFPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H52OSi/c1-6-8-10-12-24-13-15-25(16-14-24)26-17-21-28(22-18-26,20-11-9-7-2)27(29)19-23-30(3,4)5/h24-27,29H,6-18,20-22H2,1-5H3.
What are the key properties of 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol?
1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol has a molecular weight of 432.81 g/mol, XLogP of 8.37, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-pentyl-4-(4-pentylcyclohexyl)cyclohexyl]-3-trimethylsilylprop-2-yn-1-ol is sourced from PubChem (CID 21365321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).